9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one

C9H9N2O2+ — CID 796724

IUPAC9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one
SMILESCc1cc(=O)n2cccc(O)c2[nH+]1
InChIInChI=1S/C9H8N2O2/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6/h2-5,12H,1H3/p+1
InChIKeyJWWQHMUSBJSOKZ-UHFFFAOYSA-O
MW177.18 g/mol
LogP0.13
Rot. Bonds

About 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one

9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one (PubChem CID 796724) has the molecular formula C9H9N2O2+ and a molecular weight of 177.18 g/mol. Its IUPAC name is 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one.

Molecular Properties

Compound Name9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one
PubChem CID796724
Molecular FormulaC9H9N2O2+
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one
SMILESCc1cc(=O)n2cccc(O)c2[nH+]1
InChIInChI=1S/C9H8N2O2/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6/h2-5,12H,1H3/p+1
InChIKeyJWWQHMUSBJSOKZ-UHFFFAOYSA-O
XLogP0.13
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one?
The IUPAC name of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one (CID 796724) is 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one.
What is the SMILES notation for 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one?
The canonical SMILES for 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one is Cc1cc(=O)n2cccc(O)c2[nH+]1.
What is the InChIKey of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one?
The InChIKey is JWWQHMUSBJSOKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2O2/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6/h2-5,12H,1H3/p+1.
What are the key properties of 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one?
9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one has a molecular weight of 177.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-1-ium-4-one is sourced from PubChem (CID 796724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).